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Miransertib (ARQ-092)

CAT: 0957-S6811-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S6811-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1313881-70-7
Target
Akt
Applications
PI3K/Akt/mTOR
Smiles
C1CC (C1) (C2=CC=C (C=C2) N3C4=C (C=CC (=N4) C5=CC=CC=C5) N=C3C6=C (N=CC=C6) N) N
Molecular Formula
C27H24N6
Additionnal Information
Miransertib (ARQ-092) is a potent, selective and orally bioavailable allosteric inhibitor of Akt with IC50s of 2.7 nM, 14 nM and 8.1 nM for Akt1, Akt2, Akt3, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Miransertib

Miransertib is under investigation in clinical trial NCT01473095 (Phase 1 Dose Escalation Study of ARQ 092 in Adult Subjects With Advanced Solid Tumors and Recurrent Malignant Lymphoma).

CAS Number1313881-70-7
PubChem CID53262401
IUPAC Name3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
Molecular FormulaC27H24N6
Molecular Weight432.5
XLogP3.8
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity653
SMILES
C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N
InChI
InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
InChIKey
HNFMVVHMKGFCMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Miransertib
CAS: 1313881-70-7
CID: 53262401
Formula: C27H24N6
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass432.20624479
Monoisotopic Mass432.20624479
Topological Polar Surface Area95.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity653
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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